PDB entry 3a8g

View 3a8g on RCSB PDB site
Description: Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile
Class: lyase
Keywords: nitrile hydratase, Fe, Iron, Lyase, Metal-binding, Oxidation
Deposited on 2009-10-06, released 2010-04-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-01-22, with a file datestamp of 2014-01-17.
Experiment type: XRAY
Resolution: 1.11 Å
R-factor: 0.143
AEROSPACI score: 0.83 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitrile hydratase subunit alpha
    Species: Rhodococcus erythropolis [TaxId:1833]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13448
      • engineered (113)
    Domains in SCOPe 2.07: d3a8ga_
  • Chain 'B':
    Compound: Nitrile hydratase subunit beta
    Species: Rhodococcus erythropolis [TaxId:1833]
    Gene:
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3a8gb_
  • Heterogens: FE, NO, MG, TAN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3a8gA (A:)
    msvtidhttenaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgael
    varawtdpefrqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcactawpi
    lglpptwyksfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagte
    gwsqeqlqeivtkdcligvaipqvptv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a8gA (A:)
    enaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgaelvarawtdpe
    frqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcactawpilglpptwyk
    sfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagtegwsqeqlqe
    ivtkdcligvaipqvpt
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3a8gB (B:)
    mdgvhdlagvqgfgkvphtvnadigptfhaewehlpyslmfagvaelgafsvdevryvve
    rmeprhymmtpyyeryvigvatlmvekgiltqdeleslaggpfplsrpsesegrpapvet
    ttfevgqrvrvrdeyvpghirmpaycrgrvgtishrttekwpfpdaighgrndageepty
    hvkfaaeelfgsdtdggsvvvdlfegylepaa